N-(3,3-diphenylpropyl)-1H-imidazole-1-carboxamide

• ChemBase ID: 255075
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: n1(C(=O)NCCC(c2ccccc2)c2ccccc2)cncc1
• Canonical SMILES: O=C(n1cncc1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H19N3O/c23-19(22-14-13-20-15-22)21-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18H,11-12H2,(H,21,23)
• InChIKey: SBGPDYVRQBUZKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-1H-imidazole-1-carboxamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)imidazole-1-carboxamide
• Synonyms: N-(3,3-diphenylpropyl)-1H-imidazole-1-carboxamide

Database IDs

• MDL Number: MFCD09971411
• PubChem SID: 164310985
• PubChem CID: 25330415

CALCULATED PROPERTIES

• Acid pKa: 15.322943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9426637
• LogD (pH = 7.4): 2.9432342
• Log P: 2.9432416
• Molar Refractivity: 90.4687 cm^3
• Polarizability: 34.89139 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.371

Product Information

• Purity: 95%